0 mol 16 unq 0 iso 0 dist 6.75381 5.48497 8.47315 5.50193 4.7319 5.59769 10.3873 6.72833 12.1062 6.51133 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.47132 10.6275 6.48625 9.86595 7.17396 6.34264 5.09938 8.08618 9.97686 6.90592 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 6.47132 10.6275 6.48625 10.2137 9.21998 5.30842 5.09938 8.08618 9.97686 7.6021 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 5.79411 6.82817 9.01767 6.03768 7.36792 6.42572 4.26679 8.31932 10.4216 7.42011 numMergedOcc 0
4 mol 102 unq 1 iso 0 dist 5.79411 10.6581 9.80678 6.03768 7.36792 5.54551 4.26679 8.31932 12.8733 7.42011 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 6.3982 5.93926 6.7225 5.29965 5.11551 5.39296 10.6104 6.92026 6.39438 6.77806 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 6.44766 9.91056 8.97145 7.69184 6.85062 14.257 12.0238 8.70296 4.17212 14.2045 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 6.44766 9.91056 8.97145 7.69184 6.85062 14.257 6.81696 9.25558 13.6005 5.09131 numMergedOcc 0
8 mol 131 unq 2 iso 0 dist 6.44766 4.56884 6.5874 7.69184 6.85062 7.60371 12.0238 8.70296 9.64263 14.2045 numMergedOcc 0
9 mol 131 unq 3 iso 0 dist 6.44766 4.56884 6.5874 7.69184 6.85062 7.60371 6.81696 9.25558 5.55307 5.09131 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.31743 8.14784 7.78849 10.2414 9.89303 11.454 6.89623 5.83771 4.15314 7.41674 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 9.00273 17.3985 8.64255 12.3192 8.56633 11.8861 15.996 7.50013 4.91904 8.46623 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 9.00273 17.3985 8.64255 12.3192 8.56633 11.8861 13.9428 5.81233 7.59634 10.7305 numMergedOcc 0
13 mol 197 unq 2 iso 0 dist 9.00273 17.3985 8.64255 12.3192 8.56633 11.8861 10.6805 6.92924 10.3181 5.41996 numMergedOcc 0
14 mol 197 unq 3 iso 0 dist 9.00273 17.3985 8.64255 12.3192 8.56633 11.8861 8.06716 7.14306 14.2718 6.64537 numMergedOcc 0
15 mol 197 unq 4 iso 0 dist 7.19387 14.5201 8.64255 11.7609 8.56633 11.8861 11.8776 7.50013 4.91904 8.46623 numMergedOcc 0
16 mol 197 unq 5 iso 0 dist 7.19387 14.5201 8.64255 11.7609 8.56633 11.8861 7.82456 5.81233 7.59634 10.7305 numMergedOcc 0
17 mol 197 unq 6 iso 0 dist 7.19387 14.5201 8.64255 11.7609 8.56633 11.8861 12.657 6.92924 10.3181 5.41996 numMergedOcc 0
18 mol 197 unq 7 iso 0 dist 7.19387 14.5201 8.64255 11.7609 8.56633 11.8861 6.07107 7.14306 14.2718 6.64537 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 9.73858 11.2409 6.37342 7.43079 6.16342 5.29737 4.91532 8.84636 7.48655 4.30299 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 9.14351 10.0482 7.29898 12.1004 7.57994 6.6173 5.56847 5.48118 10.4369 10.7772 numMergedOcc 0
21 mol 249 unq 1 iso 0 dist 9.14351 10.0482 7.29898 9.40115 6.18582 8.95486 5.56847 5.48118 10.4369 7.04666 numMergedOcc 0
22 mol 249 unq 2 iso 0 dist 9.14351 14.5045 8.91685 12.1004 7.57994 5.25611 5.56847 5.48118 13.4788 10.7772 numMergedOcc 0
23 mol 249 unq 3 iso 0 dist 9.14351 14.5045 8.91685 9.40115 6.18582 9.66184 5.56847 5.48118 13.4788 7.04666 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.89728 16.8866 7.93997 5.07898 7.46176 14.8465 13.5186 7.08526 10.9643 8.81835 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 8.62414 18.1946 9.82774 12.2316 8.44326 10.5903 10.5063 8.00673 11.9007 4.97614 numMergedOcc 0
